SCHEMBL4598287

SCHEMBL4598287

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.52
▸ HSD11B1 P28845 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ FPR3 P25089 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4598289 0.88 ALOX5AP (0.58) ALOX5APSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL4817684 0.87 HPGD (0.57) SMN1; SMN2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL4821836 0.80 TAAR1 (0.79) SMN1; SMN2NPC1RAB9ATAAR1HSD17B10
SCHEMBL4597891 0.78 HSD17B10 (0.78) SMN1; SMN2NPC1RAB9ATAAR1HSD17B10
SCHEMBL4827117 0.77 TAAR1 (0.57) SMN1; SMN2NPC1RAB9ATAAR1HSD17B10
SCHEMBL2755853 0.76 MAPK1 (0.60) SMN1; SMN2NPC1RAB9ATAAR1HSD11B1
SCHEMBL30206599 0.76 MAPK1 (0.60) SMN1; SMN2NPC1RAB9ATAAR1HSD11B1
SCHEMBL1219412 0.76 ALDH1A1 (0.52) ALOX5APSMN1; SMN2NPC1RAB9AHSD11B1
SCHEMBL4819679 0.75 TAAR1 (0.67) TAAR1HSD17B10ALDH1A1KMT2A
SCHEMBL23020652 0.74 HPGD (0.57) SMN1; SMN2ALDH1A1CYP3A4MAPK1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US claimed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 — — EP disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US disclosed
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF ALOX5AP 4230/4885SMN1; SMN2 3010/4885NPC1 68/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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